3,4-di(propan-2-yl)-1-(trifluoromethylsulfonyl)pyrrolidine

C11H20F3NO2S — CID 121339923

IUPAC3,4-di(propan-2-yl)-1-(trifluoromethylsulfonyl)pyrrolidine
SMILESCC(C)C1CN(S(=O)(=O)C(F)(F)F)CC1C(C)C
InChIInChI=1S/C11H20F3NO2S/c1-7(2)9-5-15(6-10(9)8(3)4)18(16,17)11(12,13)14/h7-10H,5-6H2,1-4H3
InChIKeyALXMPOVNKVJYAN-UHFFFAOYSA-N
MW287.35 g/mol
LogP2.70
Rot. Bonds3

About 3,4-di(propan-2-yl)-1-(trifluoromethylsulfonyl)pyrrolidine

3,4-di(propan-2-yl)-1-(trifluoromethylsulfonyl)pyrrolidine (PubChem CID 121339923) has the molecular formula C11H20F3NO2S and a molecular weight of 287.35 g/mol. Its IUPAC name is 3,4-di(propan-2-yl)-1-(trifluoromethylsulfonyl)pyrrolidine.

Molecular Properties

Compound Name3,4-di(propan-2-yl)-1-(trifluoromethylsulfonyl)pyrrolidine
PubChem CID121339923
Molecular FormulaC11H20F3NO2S
Molecular Weight287.35 g/mol
Exact Mass287.12
IUPAC Name3,4-di(propan-2-yl)-1-(trifluoromethylsulfonyl)pyrrolidine
SMILESCC(C)C1CN(S(=O)(=O)C(F)(F)F)CC1C(C)C
InChIInChI=1S/C11H20F3NO2S/c1-7(2)9-5-15(6-10(9)8(3)4)18(16,17)11(12,13)14/h7-10H,5-6H2,1-4H3
InChIKeyALXMPOVNKVJYAN-UHFFFAOYSA-N
XLogP2.70
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.35
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3,4-di(propan-2-yl)-1-(trifluoromethylsulfonyl)pyrrolidine?
The IUPAC name of 3,4-di(propan-2-yl)-1-(trifluoromethylsulfonyl)pyrrolidine (CID 121339923) is 3,4-di(propan-2-yl)-1-(trifluoromethylsulfonyl)pyrrolidine.
What is the SMILES notation for 3,4-di(propan-2-yl)-1-(trifluoromethylsulfonyl)pyrrolidine?
The canonical SMILES for 3,4-di(propan-2-yl)-1-(trifluoromethylsulfonyl)pyrrolidine is CC(C)C1CN(S(=O)(=O)C(F)(F)F)CC1C(C)C.
What is the InChIKey of 3,4-di(propan-2-yl)-1-(trifluoromethylsulfonyl)pyrrolidine?
The InChIKey is ALXMPOVNKVJYAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20F3NO2S/c1-7(2)9-5-15(6-10(9)8(3)4)18(16,17)11(12,13)14/h7-10H,5-6H2,1-4H3.
What are the key properties of 3,4-di(propan-2-yl)-1-(trifluoromethylsulfonyl)pyrrolidine?
3,4-di(propan-2-yl)-1-(trifluoromethylsulfonyl)pyrrolidine has a molecular weight of 287.35 g/mol, XLogP of 2.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-di(propan-2-yl)-1-(trifluoromethylsulfonyl)pyrrolidine is sourced from PubChem (CID 121339923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).